2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(o-tolylmethyl)acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methylbenzyl)acetamide Formula: C22H30N3O+ MolecularWeight: 352.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3C)C

InChI

InChI=1S/C22H29N3O/c1-17-8-6-10-21(19(17)3)25-13-11-24(12-14-25)16-22(26)23-15-20-9-5-4-7-18(20)2/h4-10H,11-16H2,1-3H3,(H,23,26)/p+1